1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c1-15-8-11-22(12-9-15)14-19(24)23-10-4-5-16(13-23)20-21-17-6-2-3-7-18(17)25-20/h2-3,6-7,15-16H,4-5,8-14H2,1H3/p+1/t16-/m1/s1